Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f63_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N VAL 56.A O no hydrogen 2.973 N/A PHE 3.A N ASN 27.A O no hydrogen 2.804 N/A TYR 4.A N THR 54.A O no hydrogen 2.812 N/A TYR 5.A N LYS 29.A O no hydrogen 3.169 N/A SER 9.A N LEU 6.A O no hydrogen 3.194 N/A CYS 12.A N SER 9.A OG no hydrogen 3.414 N/A CYS 12.A SG SER 9.A OG no hydrogen 3.401 N/A ARG 13.A N SER 9.A O no hydrogen 3.005 N/A ARG 13.A NE PRO 7.A O no hydrogen 3.065 N/A ARG 13.A NH1 ALA 170.A O no hydrogen 2.998 N/A ARG 13.A NH1 ASN 205.A OD1 no hydrogen 2.938 N/A ARG 13.A NH2 GLY 8.A O no hydrogen 2.894 N/A ARG 13.A NH2 THR 174.A OG1 no hydrogen 2.817 N/A ALA 14.A N ALA 10.A O no hydrogen 2.961 N/A VAL 15.A N PRO 11.A O no hydrogen 3.262 N/A GLN 16.A N CYS 12.A O no hydrogen 2.938 N/A MET 17.A N ARG 13.A O no hydrogen 2.972 N/A THR 18.A N ALA 14.A O no hydrogen 3.072 N/A THR 18.A OG1 ALA 14.A O no hydrogen 2.831 N/A ALA 19.A N VAL 15.A O no hydrogen 2.766 N/A ALA 20.A N GLN 16.A O no hydrogen 3.023 N/A ALA 21.A N MET 17.A O no hydrogen 2.913 N/A VAL 22.A N THR 18.A O no hydrogen 3.013 N/A VAL 22.A N ALA 19.A O no hydrogen 3.210 N/A GLY 23.A N ALA 20.A O no hydrogen 3.245 N/A VAL 24.A N ALA 19.A O no hydrogen 2.992 N/A ASN 27.A N MET 1.A O no hydrogen 2.959 N/A ASN 27.A ND2 ASP 2.A OD1 no hydrogen 2.787 N/A LYS 29.A N PHE 3.A O no hydrogen 2.846 N/A THR 31.A N TYR 5.A O no hydrogen 2.967 N/A THR 31.A OG1 LYS 29.A O no hydrogen 2.991 N/A ASN 32.A N GLU 37.A OE1 no hydrogen 2.713 N/A ALA 35.A N ASN 32.A O no hydrogen 3.237 N/A ALA 35.A N ASN 32.A OD1 no hydrogen 2.839 N/A GLY 36.A N LEU 33.A O no hydrogen 2.870 N/A GLU 37.A N ASN 32.A O no hydrogen 3.002 N/A HIS 38.A N HIS 38.A ND1 no hydrogen 2.859 N/A MET 39.A N GLY 36.A O no hydrogen 2.924 N/A LYS 40.A N GLU 37.A O no hydrogen 3.471 N/A GLU 42.A N GLU 42.A OE1 no hydrogen 2.685 N/A LEU 44.A N LYS 40.A O no hydrogen 3.009 N/A LYS 45.A N PRO 41.A O no hydrogen 2.995 N/A LEU 46.A N GLU 42.A O no hydrogen 3.322 N/A ASN 47.A N PHE 43.A O no hydrogen 2.767 N/A ASN 47.A ND2 THR 54.A OG1 no hydrogen 2.965 N/A GLN 49.A N ASN 47.A OD1 no hydrogen 2.896 N/A HIS 50.A N ASN 47.A O no hydrogen 2.876 N/A HIS 50.A ND1 HIS 50.A O no hydrogen 2.783 N/A CYS 51.A SG GLN 49.A O no hydrogen 3.905 N/A THR 54.A N TYR 4.A O no hydrogen 3.167 N/A THR 54.A OG1 CYS 51.A O no hydrogen 2.695 N/A LEU 55.A N LEU 63.A O no hydrogen 2.847 N/A VAL 56.A N ASP 2.A O no hydrogen 2.903 N/A ASP 57.A N PHE 61.A O no hydrogen 2.858 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.762 N/A ASP 59.A N ASP 57.A OD1 no hydrogen 2.784 N/A GLY 60.A N ASP 57.A O no hydrogen 3.076 N/A PHE 61.A N ASP 57.A OD1 no hydrogen 2.839 N/A LEU 63.A N LEU 55.A O no hydrogen 2.885 N/A TRP 64.A NE1 GLN 49.A OE1 no hydrogen 2.788 N/A SER 66.A OG GLU 65.A OE1 no hydrogen 3.533 N/A ARG 67.A N GLU 65.A OE1 no hydrogen 2.936 N/A ARG 67.A NE ASP 106.A OD2 no hydrogen 3.255 N/A ARG 67.A NH1 GLU 65.A OE1 no hydrogen 2.848 N/A ARG 67.A NH2 ASP 106.A OD2 no hydrogen 2.897 N/A ILE 69.A N GLU 65.A O no hydrogen 2.969 N/A GLN 70.A N SER 66.A O no hydrogen 2.754 N/A GLN 70.A NE2 THR 18.A OG1 no hydrogen 2.962 N/A GLN 70.A NE2 ILE 163.A O no hydrogen 2.998 N/A ILE 71.A N ARG 67.A O no hydrogen 3.208 N/A TYR 72.A N ALA 68.A O no hydrogen 2.981 N/A TYR 72.A OH ASP 57.A OD2 no hydrogen 2.531 N/A LEU 73.A N ILE 69.A O no hydrogen 2.828 N/A VAL 74.A N GLN 70.A O no hydrogen 3.138 N/A GLU 75.A N ILE 71.A O no hydrogen 2.932 N/A LYS 76.A N TYR 72.A O no hydrogen 2.914 N/A LYS 76.A NZ ASP 57.A OD2 no hydrogen 3.464 N/A LYS 76.A NZ GLU 58.A OE2 no hydrogen 2.834 N/A LYS 76.A NZ TYR 72.A OH no hydrogen 3.055 N/A LYS 76.A NZ TYR 77.A OH no hydrogen 3.310 N/A TYR 77.A N LEU 73.A O no hydrogen 2.943 N/A TYR 77.A OH GLU 58.A OE1 no hydrogen 2.649 N/A GLY 78.A N LEU 73.A O no hydrogen 2.906 N/A GLY 78.A N VAL 74.A O no hydrogen 3.039 N/A HIS 80.A ND1 TYR 77.A O no hydrogen 2.800 N/A ASP 81.A N GLY 78.A O no hydrogen 3.061 N/A LEU 84.A N ASP 81.A OD2 no hydrogen 3.269 N/A ALA 85.A N ASP 81.A O no hydrogen 3.056 N/A GLU 86.A N ALA 82.A O no hydrogen 3.026 N/A ARG 87.A N ASP 83.A O no hydrogen 3.016 N/A LEU 88.A N LEU 84.A O no hydrogen 2.994 N/A TYR 89.A N ALA 85.A O no hydrogen 2.783 N/A TYR 89.A OH HIS 100.A NE2 no hydrogen 2.636 N/A SER 91.A N GLU 86.A OE2 no hydrogen 3.122 N/A SER 91.A OG GLU 86.A OE2 no hydrogen 2.975 N/A ARG 95.A N ASP 92.A OD2 no hydrogen 3.146 N/A ARG 96.A N ASP 92.A O no hydrogen 2.756 N/A ARG 96.A NE PRO 90.A O no hydrogen 2.895 N/A ARG 96.A NH2 TYR 89.A O no hydrogen 3.172 N/A ALA 97.A N PRO 93.A O no hydrogen 2.898 N/A VAL 98.A N ARG 94.A O no hydrogen 3.439 N/A VAL 99.A N ARG 95.A O no hydrogen 3.304 N/A HIS 100.A N ARG 96.A O no hydrogen 2.768 N/A HIS 100.A NE2 TYR 89.A OH no hydrogen 2.636 N/A GLN 101.A N ALA 97.A O no hydrogen 2.775 N/A ARG 102.A N VAL 98.A O no hydrogen 2.915 N/A ARG 102.A NE VAL 155.A O no hydrogen 2.716 N/A ARG 102.A NH1 GLN 101.A OE1 no hydrogen 2.417 N/A ARG 102.A NH2 VAL 155.A O no hydrogen 3.436 N/A LEU 103.A N VAL 99.A O no hydrogen 3.016 N/A PHE 104.A N HIS 100.A O no hydrogen 2.962 N/A PHE 105.A N GLN 101.A O no hydrogen 2.776 N/A ASP 106.A N ARG 102.A O no hydrogen 2.844 N/A VAL 107.A N LEU 103.A O no hydrogen 3.124 N/A ALA 108.A N PHE 104.A O no hydrogen 2.929 N/A VAL 109.A N PHE 105.A O no hydrogen 2.885 N/A LEU 110.A N PHE 105.A O no hydrogen 2.961 N/A TYR 111.A N ASP 106.A O no hydrogen 2.736 N/A TYR 111.A OH TYR 119.A OH no hydrogen 2.650 N/A ARG 113.A N VAL 109.A O no hydrogen 2.973 N/A ARG 113.A NH1 SER 137.A O no hydrogen 2.996 N/A ARG 113.A NH1 GLN 140.A OE1 no hydrogen 2.816 N/A PHE 114.A N LEU 110.A O no hydrogen 3.265 N/A ALA 115.A N TYR 111.A O no hydrogen 2.882 N/A GLU 116.A N GLN 112.A O no hydrogen 2.932 N/A TYR 117.A N ARG 113.A O no hydrogen 3.083 N/A TYR 118.A N PHE 114.A O no hydrogen 2.899 N/A TYR 119.A N ALA 115.A O no hydrogen 2.802 N/A TYR 119.A OH TYR 111.A OH no hydrogen 2.650 N/A GLN 121.A N TYR 118.A O no hydrogen 2.797 N/A GLN 121.A NE2 TYR 117.A O no hydrogen 2.900 N/A ILE 122.A N TYR 118.A O no hydrogen 3.077 N/A ILE 122.A N TYR 119.A O no hydrogen 3.251 N/A PHE 123.A N TYR 119.A O no hydrogen 2.812 N/A LYS 126.A N PHE 123.A O no hydrogen 3.070 N/A VAL 127.A N PRO 120.A O no hydrogen 2.962 N/A ARG 134.A N ASP 131.A OD2 no hydrogen 2.874 N/A LEU 135.A N ASP 131.A O no hydrogen 2.818 N/A ARG 136.A N PRO 132.A O no hydrogen 2.876 N/A ARG 136.A NE GLU 139.A OE1 no hydrogen 3.150 N/A ARG 136.A NH2 GLU 139.A OE1 no hydrogen 3.001 N/A SER 137.A N GLY 133.A O no hydrogen 3.027 N/A MET 138.A N ARG 134.A O no hydrogen 3.017 N/A GLU 139.A N LEU 135.A O no hydrogen 2.919 N/A GLN 140.A N ARG 136.A O no hydrogen 2.964 N/A ALA 141.A N SER 137.A O no hydrogen 3.157 N/A LEU 142.A N MET 138.A O no hydrogen 3.091 N/A GLU 143.A N GLU 139.A O no hydrogen 2.802 N/A PHE 144.A N GLN 140.A O no hydrogen 2.862 N/A LEU 145.A N ALA 141.A O no hydrogen 3.010 N/A ASN 146.A N LEU 142.A O no hydrogen 2.839 N/A THR 147.A N GLU 143.A O no hydrogen 2.960 N/A THR 147.A OG1 GLU 143.A O no hydrogen 3.165 N/A PHE 148.A N PHE 144.A O no hydrogen 2.908 N/A LEU 149.A N LEU 145.A O no hydrogen 3.093 N/A GLU 150.A N THR 147.A O no hydrogen 3.048 N/A GLU 152.A N LEU 149.A O no hydrogen 3.131 N/A VAL 155.A N ASP 165.A OD1 no hydrogen 2.873 N/A GLY 157.A N TYR 154.A O no hydrogen 3.069 N/A THR 162.A N ASP 165.A OD2 no hydrogen 2.860 N/A THR 162.A OG1 ASP 165.A OD2 no hydrogen 3.298 N/A ILE 163.A N LEU 88.A O no hydrogen 2.857 N/A ALA 164.A N THR 162.A OG1 no hydrogen 3.211 N/A LEU 166.A N THR 162.A O no hydrogen 3.231 N/A SER 167.A N ILE 163.A O no hydrogen 2.907 N/A SER 167.A OG ASP 106.A OD2 no hydrogen 2.570 N/A ILE 168.A N ALA 164.A O no hydrogen 2.989 N/A LEU 169.A N ASP 165.A O no hydrogen 2.745 N/A ALA 170.A N LEU 166.A O no hydrogen 3.187 N/A THR 171.A N SER 167.A O no hydrogen 3.164 N/A THR 171.A OG1 ASP 106.A OD1 no hydrogen 2.794 N/A THR 171.A OG1 ASP 106.A OD2 no hydrogen 3.226 N/A THR 171.A OG1 SER 167.A O no hydrogen 3.488 N/A ILE 172.A N ILE 168.A O no hydrogen 2.781 N/A ALA 173.A N LEU 169.A O no hydrogen 2.951 N/A THR 174.A N THR 171.A O no hydrogen 2.991 N/A THR 174.A OG1 ALA 170.A O no hydrogen 2.725 N/A TYR 175.A N THR 171.A O no hydrogen 3.097 N/A TYR 175.A OH LEU 110.A O no hydrogen 2.688 N/A GLU 176.A N ILE 172.A O no hydrogen 2.920 N/A VAL 177.A N ALA 173.A O no hydrogen 3.098 N/A ALA 178.A N THR 174.A O no hydrogen 3.059 N/A GLY 179.A N GLU 176.A O no hydrogen 3.059 N/A TYR 180.A N TYR 175.A O no hydrogen 3.242 N/A TYR 180.A OH GLU 139.A OE2 no hydrogen 2.814 N/A ARG 183.A N ASP 181.A OD1 no hydrogen 3.251 N/A ARG 183.A NE ASP 181.A OD1 no hydrogen 2.792 N/A ARG 183.A NH2 ASP 181.A OD1 no hydrogen 3.552 N/A ARG 183.A NH2 ASP 181.A OD2 no hydrogen 3.124 N/A ARG 184.A N ASP 181.A O no hydrogen 3.299 N/A ARG 184.A NH1 TYR 180.A OH no hydrogen 3.431 N/A TYR 185.A N LEU 182.A O no hydrogen 2.867 N/A ASN 187.A N ASN 146.A OD1 no hydrogen 2.857 N/A ASN 187.A ND2 ASN 146.A O no hydrogen 2.888 N/A ASN 187.A ND2 GLU 150.A OE2 no hydrogen 2.959 N/A VAL 188.A N ASN 146.A OD1 no hydrogen 3.223 N/A GLN 189.A N TYR 185.A O no hydrogen 2.984 N/A GLN 189.A NE2 GLU 193.A OE2 no hydrogen 2.944 N/A ARG 190.A N GLU 186.A O no hydrogen 2.933 N/A ARG 190.A NH1 GLU 152.A O no hydrogen 2.870 N/A ARG 190.A NH2 LEU 149.A O no hydrogen 2.781 N/A ARG 190.A NH2 GLU 152.A O no hydrogen 3.194 N/A TRP 191.A N ASN 187.A O no hydrogen 2.900 N/A TRP 191.A NE1 ASP 165.A OD1 no hydrogen 2.875 N/A TYR 192.A N VAL 188.A O no hydrogen 2.755 N/A TYR 192.A OH GLU 176.A OE1 no hydrogen 3.413 N/A GLU 193.A N GLN 189.A O no hydrogen 2.994 N/A ARG 194.A N ARG 190.A O no hydrogen 3.078 N/A ARG 194.A NH1 TYR 154.A OH no hydrogen 2.477 N/A THR 195.A N TRP 191.A O no hydrogen 2.904 N/A THR 195.A OG1 TRP 191.A O no hydrogen 2.830 N/A SER 196.A N TYR 192.A O no hydrogen 3.001 N/A SER 196.A OG TYR 192.A O no hydrogen 2.784 N/A ALA 197.A N GLU 193.A O no hydrogen 3.199 N/A ALA 197.A N ARG 194.A O no hydrogen 3.083 N/A ILE 198.A N THR 195.A O no hydrogen 3.064 N/A VAL 199.A N THR 195.A O no hydrogen 3.070 N/A ALA 202.A N VAL 199.A O no hydrogen 3.438 N/A LYS 204.A N ASP 203.A OD2 no hydrogen 2.896 N/A ASN 205.A N GLY 201.A O no hydrogen 3.076 N/A ASN 205.A ND2 LEU 169.A O no hydrogen 3.236 N/A VAL 206.A N ALA 202.A O no hydrogen 2.942 N/A GLU 207.A N ASP 203.A O no hydrogen 3.024 N/A GLY 208.A N LYS 204.A O no hydrogen 2.919 N/A ALA 209.A N ASN 205.A O no hydrogen 2.891 N/A LYS 210.A N VAL 206.A O no hydrogen 2.989 N/A VAL 211.A N GLU 207.A O no hydrogen 3.218 N/A PHE 212.A N GLY 208.A O no hydrogen 3.085 N/A GLY 213.A N ALA 209.A O no hydrogen 3.103 N/A ARG 214.A N VAL 211.A O no hydrogen 2.864 N/A TYR 215.A N PHE 212.A O no hydrogen 3.109 N/A PHE 216.A N GLY 213.A O no hydrogen 2.894 N/A THR 217.A OG1 GLN 218.A OE1 no hydrogen 2.683 N/A